1,9-bis(triethoxysilyl)nonan-5-one

C21H46O7Si2 — CID 158928265

IUPAC1,9-bis(triethoxysilyl)nonan-5-one
SMILESCCO[Si](CCCCC(=O)CCCC[Si](OCC)(OCC)OCC)(OCC)OCC
InChIInChI=1S/C21H46O7Si2/c1-7-23-29(24-8-2,25-9-3)19-15-13-17-21(22)18-14-16-20-30(26-10-4,27-11-5)28-12-6/h7-20H2,1-6H3
InChIKeyVLFMCDUNKIRLOQ-UHFFFAOYSA-N
MW466.76 g/mol
LogP4.99
Rot. Bonds22

About 1,9-bis(triethoxysilyl)nonan-5-one

1,9-bis(triethoxysilyl)nonan-5-one (PubChem CID 158928265) has the molecular formula C21H46O7Si2 and a molecular weight of 466.76 g/mol. Its IUPAC name is 1,9-bis(triethoxysilyl)nonan-5-one.

Molecular Properties

Compound Name1,9-bis(triethoxysilyl)nonan-5-one
PubChem CID158928265
Molecular FormulaC21H46O7Si2
Molecular Weight466.76 g/mol
Exact Mass466.28
IUPAC Name1,9-bis(triethoxysilyl)nonan-5-one
SMILESCCO[Si](CCCCC(=O)CCCC[Si](OCC)(OCC)OCC)(OCC)OCC
InChIInChI=1S/C21H46O7Si2/c1-7-23-29(24-8-2,25-9-3)19-15-13-17-21(22)18-14-16-20-30(26-10-4,27-11-5)28-12-6/h7-20H2,1-6H3
InChIKeyVLFMCDUNKIRLOQ-UHFFFAOYSA-N
XLogP4.99
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds22
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.76
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

8-triethoxysilyloctanethioic S-acid
CID 87672935
8-[diethoxy(methoxy)silyl]octan-4-one
CID 162505528
30-triethoxysilyltriacontanoic acid
CID 87687022
11-triethoxysilylundecanoic acid
CID 22725829
18-triethoxysilyloctadecanoic acid
CID 87685990
1-butyl-3-(8-oxo-12-triethoxysilyldodecyl)urea
CID 58571374
triethoxy(10-triethoxysilyldecyl)silane
CID 14439044
6-amino-1-triethoxysilylhexan-2-one
CID 91383810
S-carbamothioyl 5-triethoxysilylpentanethioate
CID 174921955
S-(5-triethoxysilylpentyl) icosanethioate
CID 175847845
S-(4-triethoxysilylbutyl) tetradecanethioate
CID 175847842
triethoxy(10-methylidenedodecyl)silane
CID 87112463

Frequently Asked Questions

What is the IUPAC name of 1,9-bis(triethoxysilyl)nonan-5-one?
The IUPAC name of 1,9-bis(triethoxysilyl)nonan-5-one (CID 158928265) is 1,9-bis(triethoxysilyl)nonan-5-one.
What is the SMILES notation for 1,9-bis(triethoxysilyl)nonan-5-one?
The canonical SMILES for 1,9-bis(triethoxysilyl)nonan-5-one is CCO[Si](CCCCC(=O)CCCC[Si](OCC)(OCC)OCC)(OCC)OCC.
What is the InChIKey of 1,9-bis(triethoxysilyl)nonan-5-one?
The InChIKey is VLFMCDUNKIRLOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H46O7Si2/c1-7-23-29(24-8-2,25-9-3)19-15-13-17-21(22)18-14-16-20-30(26-10-4,27-11-5)28-12-6/h7-20H2,1-6H3.
What are the key properties of 1,9-bis(triethoxysilyl)nonan-5-one?
1,9-bis(triethoxysilyl)nonan-5-one has a molecular weight of 466.76 g/mol, XLogP of 4.99, 22 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,9-bis(triethoxysilyl)nonan-5-one is sourced from PubChem (CID 158928265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).